naphthalene-2-thiol

C10H8S — CID 7058

IUPACnaphthalene-2-thiol
SMILESSc1ccc2ccccc2c1
InChIInChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKeyRFCQDOVPMUSZMN-UHFFFAOYSA-N
MW160.24 g/mol
LogP3.13
Rot. Bonds

About naphthalene-2-thiol

naphthalene-2-thiol (PubChem CID 7058) has the molecular formula C10H8S and a molecular weight of 160.24 g/mol. Its IUPAC name is naphthalene-2-thiol.

Molecular Properties

Compound Namenaphthalene-2-thiol
PubChem CID7058
Molecular FormulaC10H8S
Molecular Weight160.24 g/mol
Exact Mass160.03
IUPAC Namenaphthalene-2-thiol
SMILESSc1ccc2ccccc2c1
InChIInChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKeyRFCQDOVPMUSZMN-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Naphthalene
CID 931
2-Naphthalenesulfonic acid
CID 8420
Sodium 2-naphthalenesulfonate
CID 23661868
Naphthalene-2-sulfonamide
CID 232997
1-Naphthalenethiol
CID 68259
(2H8)Naphthalene
CID 92148
Disulfide, 1,2-di-2-naphthalenyl
CID 79697
3,4-Xylenethiol
CID 87799
2-Naphthalenesulfonyl chloride
CID 7125
1,5-Naphthalenedithiol
CID 21397
2-Naphthalenesulfonate
CID 3769791
4,4'-Thiobiphenyl
CID 81399

Frequently Asked Questions

What is the IUPAC name of naphthalene-2-thiol?
The IUPAC name of naphthalene-2-thiol (CID 7058) is naphthalene-2-thiol.
What is the SMILES notation for naphthalene-2-thiol?
The canonical SMILES for naphthalene-2-thiol is Sc1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-thiol?
The InChIKey is RFCQDOVPMUSZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H.
What are the key properties of naphthalene-2-thiol?
naphthalene-2-thiol has a molecular weight of 160.24 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-thiol is sourced from PubChem (CID 7058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).